Library

Chemicalize Webinar - Why Google Isn't Enough for Chemists

Feb 16, 2017 - Webinar
An introduction to Document and Structure Search modules. The benefits of chemically intelligent searches over Google search. An overview of the current available databases and our custom…

Chemicalize Webinar - Instant Legal Support for Your Research

Feb 22, 2017 - Webinar
Do you have any legal concerns related to the materials that you want to order or synthesize? If you want to be 100% assured – Compliance Checker is your best friend! Check your com…

Chemicalize Webinar - Calculations Property Predictions for All Chemists

Feb 14, 2017 - Webinar
A detailed introduction of the Calculation module and ChemAxon’s chemical predictions behind it. The benefits of property predictions over simple property databases. An overview of the …

Chemicalize Business - Pricing and Security Aspects

Feb 23, 2017 - Webinar
A detailed description of Chemicalize’s business model including registration, free usage, the credit system and special offers for universities. Clear clarifications for the most frequ…

Marvin Live at Vertex Pharmaceuticals Incorporated

Sep 14, 2016 - Presentation
We will describe briefly how Marvin Live is used at Vertex Pharmaceuticals Incorporated. We will share our involvement in the early development of Marvin Live.

Small Molecules in Big Data: Proceed with Caution!

Sep 14, 2016 - Presentation
The Schürer research group at The University of Miami is one of three sites for the Big Data to Knowledge (BD2K) Data Coordination Integration Center (DCIC) of the Library of Integrated …

Chemicalize

Sep 15, 2016 - Presentation
Chemicalize was created as a free, online demonstration and advertising application of ChemAxon’s naming and calculation technologies eight years ago. Currently this is one of the most …

Calculations & Predictors in ChemAxon's Discovery Tools

May 25, 2016 - Presentation
ChemAxon’s Discovery Toolkit is a software suite, which implements expert knowledge, and provides robust, class-leading performance to computational and medicinal chemists, aiding the i…
Product group: Discovery toolkit
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Increase compound collection value and diversity through collaborations, partnerships, and open-innovation

May 20, 2015 - Presentation
Pharmaceutical R&D is facing increasing pressure such as rising operational costs, depleted pipelines and patent expiries. In this environment, it is crucial to improve R&D pro…
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Two sides of a migration process

May 20, 2015 - Presentation
Egis Pharmaceuticals PLC, Budapest, Hungary, developed a chemical database for 20 years based on at first MDL’s ChemBase then later ISIS/Base. The database included both chemical an…
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Development of web-based Chemistry Design Tools at GlaxoSmithKline

May 20, 2015 - Presentation
At GSK we have a long history of putting design & analysis tools into the hands of medicinal chemists. However, for a variety of reasons, we have found ourselves with a proliferation…

Machine Learning Applications with JChem

Sep 25, 2013 - Presentation
We present a method for automating the identification and optimization of predictive models in the drug discovery arena. This technique selects appropriate fingerprints and learning metho…
chemonaut

Chemonaut: on-line compound sourcing platform 

May 20, 2010 - Presentation
Pyxis Discovery provides Cheminformatics-based lead discovery services to companies that are active in small molecule drug discovery. Our approach for designing and selecting screening co…
yvonne

Perspiration, Inspiration, and Happenstance in Scientific Discoveries

May 18, 2011 - Presentation
This presentation will include the mostly unwritten stories of how and why QSAR, SMILES, CLOGP, DISCO pharmacophore detection, 3D searching, and CONCORD were discovered. Hint: these inve…
Related product: Naming
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SureChEMBL: An Open Patent Chemistry Resource

May 20, 2015 - Presentation
SureChEMBL is a new resource provided by the European Bioinformatics Institute (EMBL-EBI) that annotates, extracts and indexes chemistry from full text patent documents by means of contin…
marmon

Custom Calculators in ChemAxon Tools and KNIME

May 23, 2012 - Presentation
Over the years, Evotec has built up a library of custom calculators. With the new Services interface built in to Marvin, we are now easily able to integrate these across our own applicat…
Author: ()
Related products: Instant JChem, KNIME, MarvinSketch
martin

Tautomers: A Rant

Sep 15, 2009 - Presentation
Approximately 25% of all drug-like molecules exist as more than one tautomeric form. This affects all aspects of computer-aided molecular design. One challenge is that frequently biomacro…
tim parrott

A Chemical Library Design Tool

Sep 25, 2013 - Presentation
As the usage of parallel synthesis in early stage drug discovery has evolved, medicinal chemists have demanded ever more sophisticated tools for the design and virtual screening of potent…
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